Crystallography Open Database

Information card for entry 8107337

Preview

Coordinates	8107337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 I2 N4 O Zn
Calculated formula	C17 H16 I2 N4 O Zn
Title of publication	Crystal structure of catena-poly[diiodido-(μ2-1,5-dimethyl-2-phenyl-4-((pyridin-4- ylmethylene)amino)-1,2-dihydro-3H -pyrazol-3-one-κ2 N: O)zinc(II)], C17H16I2N4OZn
Authors of publication	Li, Ben; Huang, Yujiao; Qian, Weicheng; Pang, Haixia; Tang, Qiang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	1
Pages of publication	5 - 7
a	7.4827 ± 0.0005 Å
b	14.9521 ± 0.001 Å
c	18.2838 ± 0.0013 Å
α	90°
β	99.251 ± 0.001°
γ	90°
Cell volume	2019 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0715
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	0.91
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
284440 (current)	2023-06-12	cif/ Adding structures of 8107337 via cif-deposit CGI script.	8107337.cif